SCHEMBL3856293

SCHEMBL3856293

CCOC(=O)CC1(Sc2nc(C3OCCO3)n(Cc3cc4c(cc3Cl)OCO4)c2C(=O)O)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 1/20 0.43
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8035024 0.74 EDNRA (0.41) EDNRAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3834963 0.73 EDNRA (0.47) EDNRAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL6580603 0.73 EDNRA (0.47) EDNRAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3838925 0.72 EDNRA (0.46) EDNRAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3835069 0.72 EDNRA (0.72) EDNRAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3835067 0.72 EDNRA (0.72) EDNRAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL8049350 0.71 ALDH1A1 (0.38) EDNRAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3839126 0.70 EDNRA (0.37) EDNRAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL8590715 0.67 EDNRA (0.58) EDNRAALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL3835410 0.67 EDNRA (0.84) EDNRAALDH1A1HPGDSMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861247-B1 NOVEL IMIDAZOLE N-BENZYLDIOXOL DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS AVENTIS PHARMA SA (FR) 2009-10-07 EP disclosed
US-6143774-A DRUGS AS HYPOTENSIVE AGENTS HOECHST MARION ROUSSEL (FR) 2000-11-07 US disclosed
EP-0861247-A1 NOVEL IMIDAZOLE N-BENZYLDIOXOL DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS HOECHST MARION ROUSSEL (FR) 1998-09-02 EP disclosed
WO-1997017339-A1 NOVEL IMIDAZOLE N-BENZYLDIOXOL DERIVATIVES, METHOD FOR PREPARING SAME, RESULTING INTERMEDIATES, PHARMACEUTICAL COMPOSITIONS AND USE OF SAID DERIVATIVES AS ENDOTHELIN ANTAGONISTS HOECHST MARION ROUSSEL (FR) 1997-05-15 WO disclosed